CID 10783973

201214-53-1

Structural Information

Molecular Formula

C₁₁H₁₂INO₄

SMILES

CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)OC)I

InChI

InChI=1S/C11H12INO4/c1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3/h4-5H,1-3H3,(H,13,14)

InChIKey

HBIIHFLPYDIZCG-UHFFFAOYSA-N

Compound name

methyl 4-acetamido-5-iodo-2-methoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 348.9811 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	349.98838	164.9
[M+Na]+	371.97032	165.7
[M-H]-	347.97382	162.1
[M+NH4]+	367.01492	177.6
[M+K]+	387.94426	170.8
[M+H-H2O]+	331.97836	154.8
[M+HCOO]-	393.97930	183.4
[M+CH3COO]-	407.99495	203.3
[M+Na-2H]-	369.95577	154.9
[M]+	348.98055	166.0
[M]-	348.98165	166.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe